2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide

C19H20Cl2N2O3 — CID 39680657

IUPAC2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)22-18(24)9-13-3-6-15(7-4-13)23-19(25)11-26-17-8-5-14(20)10-16(17)21/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFSXJSMQGPRLUBV-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.08
Rot. Bonds7

About 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide

2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide (PubChem CID 39680657) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
PubChem CID39680657
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)22-18(24)9-13-3-6-15(7-4-13)23-19(25)11-26-17-8-5-14(20)10-16(17)21/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFSXJSMQGPRLUBV-UHFFFAOYSA-N
XLogP4.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 55693778
2-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39683774
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023590
2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 52584664
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365453
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide (CID 39680657) is 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is FSXJSMQGPRLUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-12(2)22-18(24)9-13-3-6-15(7-4-13)23-19(25)11-26-17-8-5-14(20)10-16(17)21/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide?
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 395.29 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 39680657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).